SCHEMBL16275367

SCHEMBL16275367

c1ccc2c(c1)oc1c2c2oc3ccccc3c2c2c1c1ccccc1n2-c1ccc2sc3ccccc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
RXFP1 Q9HBX9 6/20 0.33
PPARG P37231 5/20 0.33
NR2E3 Q9Y5X4 5/20 0.33
NCOR2 Q9Y618 5/20 0.33
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 3/20 0.33
LMNA P02545 2/20 0.33
GPR3 P46089 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17405641 0.95 ESR2 (0.36) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL17405528 0.95 ESR2 (0.36) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL17405729 0.95 ESR2 (0.36) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL16275904 0.94 ALDH1A1 (0.36) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL16275492 0.94 ALDH1A1 (0.36) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL17405788 0.93 ALDH1A1 (0.36) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL17405383 0.93 ALDH1A1 (0.36) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL17246244 0.93 ESR2 (0.34) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL16275418 0.92 ESR2 (0.37) ESR2ESR1RXFP1PPARGNR2E3
SCHEMBL16275748 0.92 ESR2 (0.37) ESR2ESR1RXFP1PPARGNR2E3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9991445-B2 Heterocyclic compound, material for organic electroluminescence device including the same, and organic electroluminescence device and electronic equipment employing the same IDEMITSU KOSAN CO., LTD. (JP) 2018-06-05 US disclosed
US-9991445-B2 Heterocyclic compound, material for organic electroluminescence device including the same, and organic electroluminescence device and electronic equipment employing the same IDEMITSU KOSAN CO., LTD. (JP) 2018-06-05 US disclosed
US-20140353640-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-12-04 US disclosed
US-20140353640-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-12-04 US disclosed